2-[(3R)-3-aminocyclopentyl]pyridazin-3-one

C9H13N3O — CID 144695318

IUPAC2-[(3R)-3-aminocyclopentyl]pyridazin-3-one
SMILESN[C@@H]1CCC(n2ncccc2=O)C1
InChIInChI=1S/C9H13N3O/c10-7-3-4-8(6-7)12-9(13)2-1-5-11-12/h1-2,5,7-8H,3-4,6,10H2/t7-,8?/m1/s1
InChIKeyXITLHTMKRPEGRB-GVHYBUMESA-N
MW179.22 g/mol
LogP0.30
Rot. Bonds1

About 2-[(3R)-3-aminocyclopentyl]pyridazin-3-one

2-[(3R)-3-aminocyclopentyl]pyridazin-3-one (PubChem CID 144695318) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[(3R)-3-aminocyclopentyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(3R)-3-aminocyclopentyl]pyridazin-3-one
PubChem CID144695318
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-[(3R)-3-aminocyclopentyl]pyridazin-3-one
SMILESN[C@@H]1CCC(n2ncccc2=O)C1
InChIInChI=1S/C9H13N3O/c10-7-3-4-8(6-7)12-9(13)2-1-5-11-12/h1-2,5,7-8H,3-4,6,10H2/t7-,8?/m1/s1
InChIKeyXITLHTMKRPEGRB-GVHYBUMESA-N
XLogP0.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminocyclopentyl]pyridazin-3-one?
The IUPAC name of 2-[(3R)-3-aminocyclopentyl]pyridazin-3-one (CID 144695318) is 2-[(3R)-3-aminocyclopentyl]pyridazin-3-one.
What is the SMILES notation for 2-[(3R)-3-aminocyclopentyl]pyridazin-3-one?
The canonical SMILES for 2-[(3R)-3-aminocyclopentyl]pyridazin-3-one is N[C@@H]1CCC(n2ncccc2=O)C1.
What is the InChIKey of 2-[(3R)-3-aminocyclopentyl]pyridazin-3-one?
The InChIKey is XITLHTMKRPEGRB-GVHYBUMESA-N. The full InChI is InChI=1S/C9H13N3O/c10-7-3-4-8(6-7)12-9(13)2-1-5-11-12/h1-2,5,7-8H,3-4,6,10H2/t7-,8?/m1/s1.
What are the key properties of 2-[(3R)-3-aminocyclopentyl]pyridazin-3-one?
2-[(3R)-3-aminocyclopentyl]pyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminocyclopentyl]pyridazin-3-one is sourced from PubChem (CID 144695318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).